3,4-dimethoxy-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]benzamide Openeye Name: 3,4-dimethoxy-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]benzamide CAS Name: 3,4-dimethoxy-N-[3-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]propyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]benzamide Traditional Name: 3,4-dimethoxy-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]propyl]benzamide Formula: C28H35N4O4+ MolecularWeight: 491.6019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C28H34N4O4/c1-34-25-12-9-23(20-26(25)35-2)28(33)30-14-5-19-36-24-10-7-22(8-11-24)21-31-15-17-32(18-16-31)27-6-3-4-13-29-27/h3-4,6-13,20H,5,14-19,21H2,1-2H3,(H,30,33)/p+1